MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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Ala-Tyr

	Properties	Image
MNX_ID	MNXM1368453
reference	chebi:73395
formula	C₁₂H₁₆N₂O₄
global charge	0
mol weight	252.27
InChIKey	ALZVPLKYDKJKQU-XVKPBYJWSA-N
InChI	InChI=1S/C12H16N2O4/c1-7(13)11(16)14-10(12(17)18)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)/t7-,10-/m0/s1
SMILES	C[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C12H16N2O4/c1-7(13)11(16)14-10(12(17)18)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)/t7-,10-/m0/s1
SMILES (mnx)	[CH3:1][C@@H:7]([C:11](=[N:14][C@@H:10]([CH2:6][C:8]1=[CH:3][CH:5]=[C:9]([OH:15])[CH:4]=[CH:2]1)[C:12](=[O:17])[OH:18])[OH:16])[NH2:13]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:73395 chebi:73395 ALZVPLKYDKJKQU-XVKPBYJWSA-N	Ala-Tyr A-Y AY L-Ala-L-Tyr L-alanyl-L-tyrosine
sabiork.compound:25527 sabiorkM:25527 ALZVPLKYDKJKQU-XVKPBYJWSA-N	Ala-Tyr
hmdb:HMDB0028699 ALZVPLKYDKJKQU-XVKPBYJWSA-N	Alanyltyrosine (2S)-2-[(2S)-2-aminopropanamido]-3-(4-hydroxyphenyl)propanoic acid A-Y AY AY dipeptide Ala-tyr Alanine tyrosine dipeptide Alanine-tyrosine dipeptide Alanyl-tyrosine Alanyltyrosine, (N-beta-ala-L-tyr)-isomer L-Ala-L-tyr L-Alanyl-L-tyrosine N-Alanyltyrosine N-L-Alanyl-L-tyrosine Sarcophagine a-Y dipeptide beta-Alanyl-tyrosine
sabiork.compound:23225 sabiorkM:23225 ALZVPLKYDKJKQU-XVKPBYJWSA-N	L-Alanyl-L-tyrosine
hmdb:HMDB28699	secondary/obsolete/fantasy identifier